USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 SER OG : rot 180:sc= -0.322 USER MOD Set 1.2: A 69 THR OG1 : rot 176:sc= -0.769 USER MOD Single : A 19 THR OG1 : rot -50:sc= 0.763 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.727 K(o=0.73,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.398 K(o=-0.4,f=-3.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.61 USER MOD Single : A 29 SER OG : rot -116:sc= 0.169 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 LYS NZ :NH3+ 143:sc= -0.884 (180deg=-2.81!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.0773 X(o=0.077,f=-0.035) USER MOD Single : A 73 ASN : amide:sc= 0.64 K(o=0.64,f=0) USER MOD Single : A 76 THR OG1 : rot 72:sc= 0.846 USER MOD Single : A 78 GLN : amide:sc= -0.281 K(o=-0.28,f=-5.6!) USER MOD Single : A 79 GLN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.37) USER MOD Single : A 93 TYR OH : rot -140:sc= -0.476 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.906 12.684 5.615 1.00 0.00 N ATOM 246 CA ARG A 16 3.556 13.238 4.300 1.00 0.00 C ATOM 247 C ARG A 16 2.338 12.542 3.709 1.00 0.00 C ATOM 248 O ARG A 16 2.379 11.336 3.437 1.00 0.00 O ATOM 249 CB ARG A 16 4.771 13.139 3.341 1.00 0.00 C ATOM 250 CG ARG A 16 6.012 13.956 3.773 1.00 0.00 C ATOM 251 CD ARG A 16 5.775 15.488 3.769 1.00 0.00 C ATOM 252 NE ARG A 16 4.817 15.925 4.801 1.00 0.00 N ATOM 253 CZ ARG A 16 4.037 17.021 4.740 1.00 0.00 C ATOM 254 NH1 ARG A 16 4.082 17.850 3.706 1.00 0.00 N ATOM 255 NH2 ARG A 16 3.158 17.242 5.702 1.00 0.00 N ATOM 0 HA ARG A 16 3.297 14.289 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.058 12.091 3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.461 13.473 2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.312 13.645 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.841 13.723 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.726 15.998 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.408 15.791 2.788 1.00 0.00 H new ATOM 0 HE ARG A 16 4.738 15.345 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.719 17.665 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.480 18.673 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.076 16.586 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.561 18.069 5.668 1.00 0.00 H new ATOM 269 N GLU A 17 1.253 13.314 3.514 1.00 0.00 N ATOM 270 CA GLU A 17 0.044 12.816 2.877 1.00 0.00 C ATOM 271 C GLU A 17 0.280 12.693 1.367 1.00 0.00 C ATOM 272 O GLU A 17 0.361 13.700 0.657 1.00 0.00 O ATOM 273 CB GLU A 17 -1.164 13.748 3.147 1.00 0.00 C ATOM 274 CG GLU A 17 -1.479 14.010 4.632 1.00 0.00 C ATOM 275 CD GLU A 17 -0.692 15.187 5.265 1.00 0.00 C ATOM 276 OE1 GLU A 17 0.466 14.997 5.695 1.00 0.00 O ATOM 277 OE2 GLU A 17 -1.231 16.315 5.324 1.00 0.00 O ATOM 0 H GLU A 17 1.201 14.293 3.796 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.189 11.838 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.979 14.705 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.047 13.315 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.546 14.208 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.268 13.103 5.199 1.00 0.00 H new ATOM 284 N ILE A 18 0.376 11.453 0.902 1.00 0.00 N ATOM 285 CA ILE A 18 0.564 11.109 -0.505 1.00 0.00 C ATOM 286 C ILE A 18 -0.784 10.688 -1.107 1.00 0.00 C ATOM 287 O ILE A 18 -1.779 10.582 -0.384 1.00 0.00 O ATOM 288 CB ILE A 18 1.617 9.948 -0.633 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.107 8.623 0.036 1.00 0.00 C ATOM 290 CG2 ILE A 18 2.980 10.382 -0.035 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.035 7.429 -0.111 1.00 0.00 C ATOM 0 H ILE A 18 0.324 10.635 1.509 1.00 0.00 H new ATOM 0 HA ILE A 18 0.940 11.975 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 18 1.754 9.741 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.945 8.809 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.139 8.366 -0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.696 9.566 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.351 11.256 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.853 10.629 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.595 6.563 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.179 7.208 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.998 7.658 0.346 1.00 0.00 H new ATOM 303 N THR A 19 -0.837 10.504 -2.432 1.00 0.00 N ATOM 304 CA THR A 19 -1.973 9.834 -3.084 1.00 0.00 C ATOM 305 C THR A 19 -1.597 8.377 -3.387 1.00 0.00 C ATOM 306 O THR A 19 -0.467 7.939 -3.103 1.00 0.00 O ATOM 307 CB THR A 19 -2.395 10.563 -4.404 1.00 0.00 C ATOM 308 OG1 THR A 19 -1.350 10.503 -5.390 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.772 12.024 -4.143 1.00 0.00 C ATOM 0 H THR A 19 -0.107 10.809 -3.075 1.00 0.00 H new ATOM 0 HA THR A 19 -2.824 9.866 -2.404 1.00 0.00 H new ATOM 0 HB THR A 19 -3.272 10.041 -4.787 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.504 10.792 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.059 12.499 -5.081 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.608 12.065 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.917 12.550 -3.717 1.00 0.00 H new ATOM 317 N TRP A 20 -2.564 7.638 -3.957 1.00 0.00 N ATOM 318 CA TRP A 20 -2.345 6.275 -4.450 1.00 0.00 C ATOM 319 C TRP A 20 -1.239 6.263 -5.534 1.00 0.00 C ATOM 320 O TRP A 20 -0.468 5.312 -5.621 1.00 0.00 O ATOM 321 CB TRP A 20 -3.677 5.685 -4.991 1.00 0.00 C ATOM 322 CG TRP A 20 -3.584 4.257 -5.456 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.564 3.814 -6.742 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.494 3.091 -4.628 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.446 2.450 -6.768 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.408 1.981 -5.483 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.473 2.882 -3.250 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.297 0.685 -5.006 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.369 1.593 -2.776 1.00 0.00 C ATOM 330 CH2 TRP A 20 -3.282 0.509 -3.651 1.00 0.00 C ATOM 0 H TRP A 20 -3.519 7.973 -4.087 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.006 5.647 -3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.433 5.750 -4.208 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.023 6.302 -5.820 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.631 4.446 -7.615 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.395 1.876 -7.610 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.537 3.716 -2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.225 -0.155 -5.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.355 1.418 -1.710 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.201 -0.490 -3.249 1.00 0.00 H new ATOM 341 N LYS A 21 -1.182 7.334 -6.353 1.00 0.00 N ATOM 342 CA LYS A 21 -0.177 7.485 -7.425 1.00 0.00 C ATOM 343 C LYS A 21 1.265 7.502 -6.875 1.00 0.00 C ATOM 344 O LYS A 21 2.145 6.822 -7.416 1.00 0.00 O ATOM 345 CB LYS A 21 -0.477 8.771 -8.259 1.00 0.00 C ATOM 346 CG LYS A 21 0.159 8.799 -9.671 1.00 0.00 C ATOM 347 CD LYS A 21 -0.281 7.615 -10.561 1.00 0.00 C ATOM 348 CE LYS A 21 -1.800 7.565 -10.795 1.00 0.00 C ATOM 349 NZ LYS A 21 -2.217 6.310 -11.475 1.00 0.00 N ATOM 0 H LYS A 21 -1.831 8.118 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.251 6.614 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.557 8.876 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.124 9.638 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.107 9.734 -10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.245 8.788 -9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.226 7.684 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.040 6.682 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.317 7.649 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.103 8.422 -11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.248 6.316 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.744 6.242 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.952 5.493 -10.889 1.00 0.00 H new ATOM 363 N ASP A 22 1.501 8.285 -5.811 1.00 0.00 N ATOM 364 CA ASP A 22 2.804 8.298 -5.113 1.00 0.00 C ATOM 365 C ASP A 22 3.103 6.923 -4.520 1.00 0.00 C ATOM 366 O ASP A 22 4.214 6.413 -4.660 1.00 0.00 O ATOM 367 CB ASP A 22 2.823 9.333 -3.970 1.00 0.00 C ATOM 368 CG ASP A 22 2.510 10.759 -4.426 1.00 0.00 C ATOM 369 OD1 ASP A 22 1.318 11.114 -4.499 1.00 0.00 O ATOM 370 OD2 ASP A 22 3.444 11.537 -4.691 1.00 0.00 O ATOM 0 H ASP A 22 0.809 8.919 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 22 3.560 8.565 -5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.099 9.036 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.805 9.320 -3.496 1.00 0.00 H new ATOM 375 N PHE A 23 2.075 6.333 -3.874 1.00 0.00 N ATOM 376 CA PHE A 23 2.191 5.028 -3.212 1.00 0.00 C ATOM 377 C PHE A 23 2.700 3.962 -4.193 1.00 0.00 C ATOM 378 O PHE A 23 3.647 3.254 -3.891 1.00 0.00 O ATOM 379 CB PHE A 23 0.853 4.575 -2.564 1.00 0.00 C ATOM 380 CG PHE A 23 0.913 3.133 -2.037 1.00 0.00 C ATOM 381 CD1 PHE A 23 1.843 2.778 -1.062 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.098 2.141 -2.560 1.00 0.00 C ATOM 383 CE1 PHE A 23 1.948 1.481 -0.627 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.209 0.840 -2.131 1.00 0.00 C ATOM 385 CZ PHE A 23 1.132 0.510 -1.162 1.00 0.00 C ATOM 0 H PHE A 23 1.147 6.751 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 23 2.918 5.144 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.604 5.248 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.051 4.657 -3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.490 3.534 -0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.633 2.394 -3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.670 1.222 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.427 0.076 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.215 -0.512 -0.822 1.00 0.00 H new ATOM 395 N VAL A 24 2.055 3.879 -5.353 1.00 0.00 N ATOM 396 CA VAL A 24 2.392 2.923 -6.409 1.00 0.00 C ATOM 397 C VAL A 24 3.798 3.179 -6.976 1.00 0.00 C ATOM 398 O VAL A 24 4.708 2.371 -6.776 1.00 0.00 O ATOM 399 CB VAL A 24 1.299 2.974 -7.545 1.00 0.00 C ATOM 400 CG1 VAL A 24 1.729 2.222 -8.821 1.00 0.00 C ATOM 401 CG2 VAL A 24 -0.042 2.435 -7.009 1.00 0.00 C ATOM 0 H VAL A 24 1.269 4.484 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 24 2.402 1.922 -5.977 1.00 0.00 H new ATOM 0 HB VAL A 24 1.177 4.018 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.938 2.291 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.641 2.668 -9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.912 1.174 -8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.792 2.474 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.086 1.404 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.370 3.046 -6.168 1.00 0.00 H new ATOM 411 N ASN A 25 3.967 4.321 -7.642 1.00 0.00 N ATOM 412 CA ASN A 25 5.148 4.590 -8.482 1.00 0.00 C ATOM 413 C ASN A 25 6.413 4.814 -7.647 1.00 0.00 C ATOM 414 O ASN A 25 7.470 4.247 -7.947 1.00 0.00 O ATOM 415 CB ASN A 25 4.873 5.804 -9.410 1.00 0.00 C ATOM 416 CG ASN A 25 3.793 5.512 -10.463 1.00 0.00 C ATOM 417 OD1 ASN A 25 4.091 5.078 -11.576 1.00 0.00 O ATOM 418 ND2 ASN A 25 2.535 5.727 -10.113 1.00 0.00 N ATOM 0 H ASN A 25 3.295 5.088 -7.619 1.00 0.00 H new ATOM 0 HA ASN A 25 5.329 3.707 -9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.564 6.656 -8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.797 6.089 -9.913 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.782 5.532 -10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.319 6.087 -9.184 1.00 0.00 H new ATOM 425 N ASN A 26 6.312 5.645 -6.609 1.00 0.00 N ATOM 426 CA ASN A 26 7.475 6.079 -5.819 1.00 0.00 C ATOM 427 C ASN A 26 7.910 5.019 -4.779 1.00 0.00 C ATOM 428 O ASN A 26 9.062 5.043 -4.333 1.00 0.00 O ATOM 429 CB ASN A 26 7.154 7.429 -5.107 1.00 0.00 C ATOM 430 CG ASN A 26 6.732 8.559 -6.063 1.00 0.00 C ATOM 431 OD1 ASN A 26 6.077 8.335 -7.078 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.118 9.786 -5.748 1.00 0.00 N ATOM 0 H ASN A 26 5.427 6.038 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 26 8.308 6.212 -6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.357 7.264 -4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.033 7.750 -4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.872 10.569 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.661 9.948 -4.900 1.00 0.00 H new ATOM 439 N TYR A 27 6.991 4.101 -4.377 1.00 0.00 N ATOM 440 CA TYR A 27 7.235 3.191 -3.228 1.00 0.00 C ATOM 441 C TYR A 27 6.992 1.703 -3.570 1.00 0.00 C ATOM 442 O TYR A 27 7.914 0.870 -3.476 1.00 0.00 O ATOM 443 CB TYR A 27 6.346 3.620 -2.019 1.00 0.00 C ATOM 444 CG TYR A 27 6.510 5.099 -1.607 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.708 5.573 -1.072 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.472 6.013 -1.765 1.00 0.00 C ATOM 447 CE1 TYR A 27 7.856 6.898 -0.718 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.617 7.338 -1.413 1.00 0.00 C ATOM 449 CZ TYR A 27 6.808 7.775 -0.887 1.00 0.00 C ATOM 450 OH TYR A 27 6.958 9.098 -0.534 1.00 0.00 O ATOM 0 H TYR A 27 6.084 3.973 -4.827 1.00 0.00 H new ATOM 0 HA TYR A 27 8.290 3.280 -2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.301 3.438 -2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.585 2.988 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.534 4.891 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.531 5.676 -2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.793 7.247 -0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.798 8.029 -1.550 1.00 0.00 H new ATOM 0 HH TYR A 27 6.126 9.582 -0.718 1.00 0.00 H new ATOM 460 N LEU A 28 5.741 1.385 -3.944 1.00 0.00 N ATOM 461 CA LEU A 28 5.242 -0.003 -4.077 1.00 0.00 C ATOM 462 C LEU A 28 5.986 -0.760 -5.188 1.00 0.00 C ATOM 463 O LEU A 28 6.398 -1.899 -4.986 1.00 0.00 O ATOM 464 CB LEU A 28 3.708 0.001 -4.333 1.00 0.00 C ATOM 465 CG LEU A 28 3.001 -1.395 -4.433 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.104 -2.198 -3.112 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.527 -1.237 -4.871 1.00 0.00 C ATOM 0 H LEU A 28 5.037 2.089 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 28 5.436 -0.527 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.232 0.566 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.520 0.543 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 28 3.527 -1.967 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.600 -3.157 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.153 -2.366 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.631 -1.636 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.059 -2.219 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.994 -0.626 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.487 -0.754 -5.847 1.00 0.00 H new ATOM 479 N SER A 29 6.177 -0.106 -6.347 1.00 0.00 N ATOM 480 CA SER A 29 6.886 -0.686 -7.505 1.00 0.00 C ATOM 481 C SER A 29 8.363 -1.008 -7.201 1.00 0.00 C ATOM 482 O SER A 29 8.980 -1.808 -7.898 1.00 0.00 O ATOM 483 CB SER A 29 6.786 0.289 -8.694 1.00 0.00 C ATOM 484 OG SER A 29 7.427 1.516 -8.392 1.00 0.00 O ATOM 0 H SER A 29 5.843 0.844 -6.509 1.00 0.00 H new ATOM 0 HA SER A 29 6.407 -1.634 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.243 -0.158 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.738 0.470 -8.935 1.00 0.00 H new ATOM 0 HG SER A 29 6.765 2.238 -8.386 1.00 0.00 H new ATOM 490 N LYS A 30 8.913 -0.372 -6.159 1.00 0.00 N ATOM 491 CA LYS A 30 10.311 -0.548 -5.736 1.00 0.00 C ATOM 492 C LYS A 30 10.408 -1.563 -4.578 1.00 0.00 C ATOM 493 O LYS A 30 11.503 -2.021 -4.242 1.00 0.00 O ATOM 494 CB LYS A 30 10.884 0.822 -5.308 1.00 0.00 C ATOM 495 CG LYS A 30 10.783 1.916 -6.403 1.00 0.00 C ATOM 496 CD LYS A 30 11.387 3.267 -5.960 1.00 0.00 C ATOM 497 CE LYS A 30 11.329 4.344 -7.060 1.00 0.00 C ATOM 498 NZ LYS A 30 11.982 5.612 -6.622 1.00 0.00 N ATOM 0 H LYS A 30 8.395 0.287 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 30 10.893 -0.940 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.356 1.163 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.930 0.696 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.295 1.572 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.736 2.061 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.853 3.626 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.425 3.115 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.820 3.973 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.290 4.541 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.924 6.314 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.497 5.979 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.980 5.428 -6.395 1.00 0.00 H new ATOM 512 N GLY A 31 9.245 -1.939 -4.011 1.00 0.00 N ATOM 513 CA GLY A 31 9.169 -2.824 -2.845 1.00 0.00 C ATOM 514 C GLY A 31 9.826 -2.272 -1.583 1.00 0.00 C ATOM 515 O GLY A 31 10.320 -3.044 -0.753 1.00 0.00 O ATOM 0 H GLY A 31 8.334 -1.634 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.121 -3.032 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.638 -3.775 -3.096 1.00 0.00 H new ATOM 519 N VAL A 32 9.801 -0.931 -1.411 1.00 0.00 N ATOM 520 CA VAL A 32 10.314 -0.285 -0.172 1.00 0.00 C ATOM 521 C VAL A 32 9.266 -0.362 0.956 1.00 0.00 C ATOM 522 O VAL A 32 9.517 0.090 2.072 1.00 0.00 O ATOM 523 CB VAL A 32 10.751 1.210 -0.403 1.00 0.00 C ATOM 524 CG1 VAL A 32 11.792 1.315 -1.534 1.00 0.00 C ATOM 525 CG2 VAL A 32 9.543 2.130 -0.672 1.00 0.00 C ATOM 0 H VAL A 32 9.436 -0.277 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 32 11.205 -0.840 0.123 1.00 0.00 H new ATOM 0 HB VAL A 32 11.218 1.555 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.076 2.358 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.674 0.731 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.364 0.930 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.891 3.152 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.017 1.788 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.867 2.102 0.182 1.00 0.00 H new ATOM 535 N VAL A 33 8.104 -0.971 0.649 1.00 0.00 N ATOM 536 CA VAL A 33 6.971 -1.067 1.571 1.00 0.00 C ATOM 537 C VAL A 33 6.986 -2.455 2.238 1.00 0.00 C ATOM 538 O VAL A 33 7.145 -3.475 1.561 1.00 0.00 O ATOM 539 CB VAL A 33 5.589 -0.840 0.841 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.426 -0.686 1.855 1.00 0.00 C ATOM 541 CG2 VAL A 33 5.655 0.370 -0.116 1.00 0.00 C ATOM 0 H VAL A 33 7.931 -1.411 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 33 7.075 -0.281 2.319 1.00 0.00 H new ATOM 0 HB VAL A 33 5.387 -1.729 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.491 -0.531 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.350 -1.589 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.618 0.170 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.689 0.501 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.901 1.269 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.422 0.196 -0.871 1.00 0.00 H new ATOM 551 N ASP A 34 6.818 -2.470 3.566 1.00 0.00 N ATOM 552 CA ASP A 34 6.778 -3.686 4.385 1.00 0.00 C ATOM 553 C ASP A 34 5.326 -4.155 4.540 1.00 0.00 C ATOM 554 O ASP A 34 4.996 -5.294 4.226 1.00 0.00 O ATOM 555 CB ASP A 34 7.401 -3.385 5.778 1.00 0.00 C ATOM 556 CG ASP A 34 7.255 -4.527 6.797 1.00 0.00 C ATOM 557 OD1 ASP A 34 7.748 -5.638 6.525 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.621 -4.322 7.858 1.00 0.00 O ATOM 0 H ASP A 34 6.704 -1.617 4.113 1.00 0.00 H new ATOM 0 HA ASP A 34 7.351 -4.477 3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.460 -3.162 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.934 -2.488 6.186 1.00 0.00 H new ATOM 563 N ARG A 35 4.476 -3.241 5.030 1.00 0.00 N ATOM 564 CA ARG A 35 3.061 -3.519 5.323 1.00 0.00 C ATOM 565 C ARG A 35 2.238 -2.230 5.250 1.00 0.00 C ATOM 566 O ARG A 35 2.789 -1.121 5.217 1.00 0.00 O ATOM 567 CB ARG A 35 2.900 -4.202 6.708 1.00 0.00 C ATOM 568 CG ARG A 35 3.320 -3.338 7.913 1.00 0.00 C ATOM 569 CD ARG A 35 3.215 -4.094 9.246 1.00 0.00 C ATOM 570 NE ARG A 35 4.092 -5.285 9.292 1.00 0.00 N ATOM 571 CZ ARG A 35 4.099 -6.214 10.271 1.00 0.00 C ATOM 572 NH1 ARG A 35 3.271 -6.104 11.320 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.935 -7.251 10.185 1.00 0.00 N ATOM 0 H ARG A 35 4.752 -2.281 5.236 1.00 0.00 H new ATOM 0 HA ARG A 35 2.686 -4.210 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.857 -4.492 6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.489 -5.119 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.346 -2.998 7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.692 -2.448 7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.477 -3.422 10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.181 -4.401 9.405 1.00 0.00 H new ATOM 0 HE ARG A 35 4.746 -5.415 8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.629 -5.314 11.382 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.283 -6.811 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.561 -7.336 9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.948 -7.958 10.920 1.00 0.00 H new ATOM 587 N LEU A 36 0.911 -2.397 5.187 1.00 0.00 N ATOM 588 CA LEU A 36 -0.049 -1.284 5.100 1.00 0.00 C ATOM 589 C LEU A 36 -1.014 -1.307 6.283 1.00 0.00 C ATOM 590 O LEU A 36 -1.870 -2.185 6.379 1.00 0.00 O ATOM 591 CB LEU A 36 -0.803 -1.371 3.754 1.00 0.00 C ATOM 592 CG LEU A 36 0.075 -1.092 2.503 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.713 -1.304 1.208 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.710 0.320 2.563 1.00 0.00 C ATOM 0 H LEU A 36 0.467 -3.315 5.195 1.00 0.00 H new ATOM 0 HA LEU A 36 0.487 -0.336 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.240 -2.365 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.629 -0.660 3.768 1.00 0.00 H new ATOM 0 HG LEU A 36 0.891 -1.815 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.069 -1.100 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.064 -2.335 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.568 -0.628 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.318 0.484 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.078 1.072 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.337 0.399 3.451 1.00 0.00 H new ATOM 606 N GLU A 37 -0.843 -0.333 7.190 1.00 0.00 N ATOM 607 CA GLU A 37 -1.649 -0.205 8.412 1.00 0.00 C ATOM 608 C GLU A 37 -2.909 0.633 8.128 1.00 0.00 C ATOM 609 O GLU A 37 -2.846 1.862 8.053 1.00 0.00 O ATOM 610 CB GLU A 37 -0.789 0.444 9.525 1.00 0.00 C ATOM 611 CG GLU A 37 0.510 -0.321 9.861 1.00 0.00 C ATOM 612 CD GLU A 37 1.379 0.404 10.901 1.00 0.00 C ATOM 613 OE1 GLU A 37 1.779 1.563 10.636 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.653 -0.160 11.985 1.00 0.00 O ATOM 0 H GLU A 37 -0.134 0.394 7.094 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.970 -1.191 8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.530 1.458 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.391 0.527 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.255 -1.312 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.088 -0.464 8.948 1.00 0.00 H new ATOM 621 N VAL A 38 -4.051 -0.047 7.986 1.00 0.00 N ATOM 622 CA VAL A 38 -5.314 0.568 7.581 1.00 0.00 C ATOM 623 C VAL A 38 -6.138 0.858 8.848 1.00 0.00 C ATOM 624 O VAL A 38 -6.866 -0.013 9.349 1.00 0.00 O ATOM 625 CB VAL A 38 -6.096 -0.381 6.599 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.334 0.311 6.001 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.166 -0.912 5.489 1.00 0.00 C ATOM 0 H VAL A 38 -4.123 -1.051 8.151 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.126 1.501 7.049 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.451 -1.232 7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.846 -0.377 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.010 0.605 6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.023 1.196 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.730 -1.565 4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.764 -0.074 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.346 -1.472 5.938 1.00 0.00 H new ATOM 637 N VAL A 39 -5.956 2.071 9.392 1.00 0.00 N ATOM 638 CA VAL A 39 -6.559 2.476 10.661 1.00 0.00 C ATOM 639 C VAL A 39 -8.027 2.870 10.445 1.00 0.00 C ATOM 640 O VAL A 39 -8.323 3.804 9.696 1.00 0.00 O ATOM 641 CB VAL A 39 -5.740 3.643 11.333 1.00 0.00 C ATOM 642 CG1 VAL A 39 -6.365 4.091 12.676 1.00 0.00 C ATOM 643 CG2 VAL A 39 -4.247 3.238 11.516 1.00 0.00 C ATOM 0 H VAL A 39 -5.384 2.797 8.960 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.531 1.629 11.346 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.782 4.499 10.660 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.769 4.897 13.104 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.382 4.444 12.504 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.385 3.248 13.367 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.702 4.059 11.982 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.185 2.355 12.152 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.808 3.017 10.543 1.00 0.00 H new ATOM 653 N ASN A 40 -8.915 2.112 11.113 1.00 0.00 N ATOM 654 CA ASN A 40 -10.386 2.264 11.068 1.00 0.00 C ATOM 655 C ASN A 40 -10.950 2.346 9.636 1.00 0.00 C ATOM 656 O ASN A 40 -12.022 2.912 9.412 1.00 0.00 O ATOM 657 CB ASN A 40 -10.817 3.471 11.937 1.00 0.00 C ATOM 658 CG ASN A 40 -10.314 3.359 13.376 1.00 0.00 C ATOM 659 OD1 ASN A 40 -10.285 2.276 13.970 1.00 0.00 O ATOM 660 ND2 ASN A 40 -9.863 4.466 13.937 1.00 0.00 N ATOM 0 H ASN A 40 -8.620 1.348 11.722 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.821 1.357 11.487 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.437 4.390 11.492 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.905 3.544 11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.480 4.439 14.882 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.898 5.348 13.426 1.00 0.00 H new ATOM 667 N LYS A 41 -10.220 1.710 8.686 1.00 0.00 N ATOM 668 CA LYS A 41 -10.507 1.732 7.239 1.00 0.00 C ATOM 669 C LYS A 41 -10.640 3.159 6.638 1.00 0.00 C ATOM 670 O LYS A 41 -11.106 3.318 5.508 1.00 0.00 O ATOM 671 CB LYS A 41 -11.746 0.847 6.917 1.00 0.00 C ATOM 672 CG LYS A 41 -11.527 -0.665 7.158 1.00 0.00 C ATOM 673 CD LYS A 41 -12.745 -1.553 6.773 1.00 0.00 C ATOM 674 CE LYS A 41 -13.942 -1.462 7.751 1.00 0.00 C ATOM 675 NZ LYS A 41 -14.605 -0.125 7.776 1.00 0.00 N ATOM 0 H LYS A 41 -9.396 1.155 8.916 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.633 1.306 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.586 1.182 7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.027 1.000 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.658 -0.991 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.293 -0.824 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.084 -1.270 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.418 -2.591 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.679 -2.217 7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.596 -1.703 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.632 -0.249 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.235 0.431 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.411 0.375 6.885 1.00 0.00 H new ATOM 689 N ARG A 42 -10.177 4.180 7.378 1.00 0.00 N ATOM 690 CA ARG A 42 -10.212 5.585 6.951 1.00 0.00 C ATOM 691 C ARG A 42 -8.982 5.916 6.102 1.00 0.00 C ATOM 692 O ARG A 42 -9.092 6.513 5.023 1.00 0.00 O ATOM 693 CB ARG A 42 -10.260 6.504 8.199 1.00 0.00 C ATOM 694 CG ARG A 42 -10.237 8.020 7.897 1.00 0.00 C ATOM 695 CD ARG A 42 -10.215 8.885 9.165 1.00 0.00 C ATOM 696 NE ARG A 42 -10.149 10.321 8.833 1.00 0.00 N ATOM 697 CZ ARG A 42 -10.212 11.335 9.714 1.00 0.00 C ATOM 698 NH1 ARG A 42 -10.345 11.106 11.019 1.00 0.00 N ATOM 699 NH2 ARG A 42 -10.149 12.590 9.269 1.00 0.00 N ATOM 0 H ARG A 42 -9.763 4.049 8.301 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.103 5.750 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.163 6.276 8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.412 6.264 8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.361 8.251 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.113 8.280 7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.108 8.687 9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.357 8.612 9.779 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.047 10.566 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.401 10.148 11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.391 11.888 11.672 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.054 12.773 8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.196 13.368 9.928 1.00 0.00 H new ATOM 713 N PHE A 43 -7.806 5.505 6.586 1.00 0.00 N ATOM 714 CA PHE A 43 -6.530 5.833 5.945 1.00 0.00 C ATOM 715 C PHE A 43 -5.539 4.695 6.153 1.00 0.00 C ATOM 716 O PHE A 43 -5.686 3.877 7.070 1.00 0.00 O ATOM 717 CB PHE A 43 -5.950 7.180 6.476 1.00 0.00 C ATOM 718 CG PHE A 43 -5.544 7.180 7.951 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.488 7.392 8.944 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.217 6.977 8.337 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.126 7.401 10.268 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.858 6.988 9.665 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.812 7.202 10.631 1.00 0.00 C ATOM 0 H PHE A 43 -7.712 4.938 7.429 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.707 5.958 4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.079 7.443 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.692 7.963 6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.521 7.552 8.672 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.463 6.809 7.583 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.875 7.565 11.029 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.828 6.829 9.948 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.532 7.214 11.674 1.00 0.00 H new ATOM 733 N VAL A 44 -4.522 4.673 5.294 1.00 0.00 N ATOM 734 CA VAL A 44 -3.501 3.633 5.259 1.00 0.00 C ATOM 735 C VAL A 44 -2.123 4.268 5.464 1.00 0.00 C ATOM 736 O VAL A 44 -1.796 5.265 4.811 1.00 0.00 O ATOM 737 CB VAL A 44 -3.543 2.879 3.885 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.484 1.767 3.826 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.957 2.324 3.605 1.00 0.00 C ATOM 0 H VAL A 44 -4.384 5.395 4.587 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.693 2.915 6.056 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.305 3.598 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.539 1.263 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.492 2.202 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.668 1.046 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.961 1.805 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.238 1.628 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.671 3.147 3.575 1.00 0.00 H new ATOM 749 N ARG A 45 -1.326 3.685 6.367 1.00 0.00 N ATOM 750 CA ARG A 45 0.045 4.121 6.631 1.00 0.00 C ATOM 751 C ARG A 45 1.003 3.198 5.877 1.00 0.00 C ATOM 752 O ARG A 45 0.950 1.967 6.039 1.00 0.00 O ATOM 753 CB ARG A 45 0.346 4.086 8.149 1.00 0.00 C ATOM 754 CG ARG A 45 -0.586 4.976 9.004 1.00 0.00 C ATOM 755 CD ARG A 45 -0.252 4.918 10.506 1.00 0.00 C ATOM 756 NE ARG A 45 -1.198 5.721 11.307 1.00 0.00 N ATOM 757 CZ ARG A 45 -1.518 5.495 12.591 1.00 0.00 C ATOM 758 NH1 ARG A 45 -0.983 4.475 13.252 1.00 0.00 N ATOM 759 NH2 ARG A 45 -2.402 6.277 13.185 1.00 0.00 N ATOM 0 H ARG A 45 -1.619 2.892 6.938 1.00 0.00 H new ATOM 0 HA ARG A 45 0.174 5.148 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.268 3.057 8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.377 4.400 8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.513 6.008 8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.619 4.662 8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.276 3.882 10.845 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.762 5.282 10.668 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.645 6.513 10.846 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.322 3.855 12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.233 4.312 14.227 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.834 7.043 12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.653 6.115 14.160 1.00 0.00 H new ATOM 773 N VAL A 46 1.863 3.804 5.050 1.00 0.00 N ATOM 774 CA VAL A 46 2.881 3.079 4.295 1.00 0.00 C ATOM 775 C VAL A 46 4.080 2.848 5.223 1.00 0.00 C ATOM 776 O VAL A 46 4.792 3.796 5.589 1.00 0.00 O ATOM 777 CB VAL A 46 3.321 3.872 3.005 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.328 3.081 2.144 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.092 4.305 2.173 1.00 0.00 C ATOM 0 H VAL A 46 1.869 4.811 4.888 1.00 0.00 H new ATOM 0 HA VAL A 46 2.473 2.127 3.954 1.00 0.00 H new ATOM 0 HB VAL A 46 3.836 4.771 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.599 3.670 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.222 2.871 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.875 2.143 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.424 4.850 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.531 3.422 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.452 4.949 2.777 1.00 0.00 H new ATOM 789 N THR A 47 4.266 1.584 5.625 1.00 0.00 N ATOM 790 CA THR A 47 5.391 1.170 6.461 1.00 0.00 C ATOM 791 C THR A 47 6.556 0.828 5.527 1.00 0.00 C ATOM 792 O THR A 47 6.353 0.123 4.552 1.00 0.00 O ATOM 793 CB THR A 47 5.012 -0.080 7.324 1.00 0.00 C ATOM 794 OG1 THR A 47 3.860 0.210 8.129 1.00 0.00 O ATOM 795 CG2 THR A 47 6.158 -0.558 8.234 1.00 0.00 C ATOM 0 H THR A 47 3.637 0.821 5.377 1.00 0.00 H new ATOM 0 HA THR A 47 5.664 1.972 7.146 1.00 0.00 H new ATOM 0 HB THR A 47 4.797 -0.886 6.622 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.628 -0.577 8.664 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.831 -1.427 8.805 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.019 -0.829 7.623 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.437 0.243 8.919 1.00 0.00 H new ATOM 803 N PHE A 48 7.736 1.388 5.793 1.00 0.00 N ATOM 804 CA PHE A 48 8.964 1.048 5.056 1.00 0.00 C ATOM 805 C PHE A 48 9.640 -0.182 5.680 1.00 0.00 C ATOM 806 O PHE A 48 9.588 -0.364 6.898 1.00 0.00 O ATOM 807 CB PHE A 48 9.919 2.262 5.024 1.00 0.00 C ATOM 808 CG PHE A 48 9.380 3.466 4.246 1.00 0.00 C ATOM 809 CD1 PHE A 48 9.409 3.483 2.856 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.850 4.578 4.902 1.00 0.00 C ATOM 811 CE1 PHE A 48 8.927 4.567 2.148 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.370 5.660 4.193 1.00 0.00 C ATOM 813 CZ PHE A 48 8.409 5.656 2.814 1.00 0.00 C ATOM 0 H PHE A 48 7.873 2.088 6.522 1.00 0.00 H new ATOM 0 HA PHE A 48 8.704 0.797 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.130 2.571 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.866 1.953 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.814 2.636 2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.815 4.592 5.981 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.956 4.561 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.963 6.511 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.035 6.503 2.259 1.00 0.00 H new ATOM 823 N THR A 49 10.258 -1.025 4.836 1.00 0.00 N ATOM 824 CA THR A 49 10.959 -2.255 5.281 1.00 0.00 C ATOM 825 C THR A 49 12.435 -1.952 5.678 1.00 0.00 C ATOM 826 O THR A 49 13.053 -1.069 5.074 1.00 0.00 O ATOM 827 CB THR A 49 10.888 -3.363 4.168 1.00 0.00 C ATOM 828 OG1 THR A 49 11.477 -4.591 4.623 1.00 0.00 O ATOM 829 CG2 THR A 49 11.566 -2.930 2.864 1.00 0.00 C ATOM 0 H THR A 49 10.289 -0.879 3.827 1.00 0.00 H new ATOM 0 HA THR A 49 10.452 -2.631 6.170 1.00 0.00 H new ATOM 0 HB THR A 49 9.829 -3.519 3.963 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.419 -5.264 3.913 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.488 -3.732 2.130 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.076 -2.036 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.617 -2.714 3.055 1.00 0.00 H new ATOM 960 N TYR A 59 7.420 8.873 7.664 1.00 0.00 N ATOM 961 CA TYR A 59 6.223 8.071 7.363 1.00 0.00 C ATOM 962 C TYR A 59 5.359 8.788 6.325 1.00 0.00 C ATOM 963 O TYR A 59 4.985 9.947 6.500 1.00 0.00 O ATOM 964 CB TYR A 59 5.389 7.821 8.646 1.00 0.00 C ATOM 965 CG TYR A 59 5.989 6.789 9.622 1.00 0.00 C ATOM 966 CD1 TYR A 59 7.206 7.023 10.261 1.00 0.00 C ATOM 967 CD2 TYR A 59 5.329 5.588 9.906 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.738 6.109 11.141 1.00 0.00 C ATOM 969 CE2 TYR A 59 5.865 4.668 10.791 1.00 0.00 C ATOM 970 CZ TYR A 59 7.069 4.937 11.404 1.00 0.00 C ATOM 971 OH TYR A 59 7.604 4.038 12.301 1.00 0.00 O ATOM 0 HA TYR A 59 6.550 7.110 6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.267 8.768 9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.393 7.487 8.355 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.741 7.939 10.061 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.385 5.375 9.426 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.682 6.312 11.625 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.343 3.746 10.999 1.00 0.00 H new ATOM 0 HH TYR A 59 7.012 3.261 12.378 1.00 0.00 H new ATOM 981 N VAL A 60 5.020 8.076 5.257 1.00 0.00 N ATOM 982 CA VAL A 60 4.090 8.570 4.236 1.00 0.00 C ATOM 983 C VAL A 60 2.778 7.781 4.352 1.00 0.00 C ATOM 984 O VAL A 60 2.791 6.594 4.699 1.00 0.00 O ATOM 985 CB VAL A 60 4.718 8.475 2.800 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.969 9.373 2.699 1.00 0.00 C ATOM 987 CG2 VAL A 60 5.056 7.020 2.417 1.00 0.00 C ATOM 0 H VAL A 60 5.379 7.140 5.070 1.00 0.00 H new ATOM 0 HA VAL A 60 3.882 9.627 4.402 1.00 0.00 H new ATOM 0 HB VAL A 60 3.973 8.831 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.392 9.296 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.691 10.408 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.709 9.050 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.488 6.998 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.772 6.613 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.147 6.419 2.433 1.00 0.00 H new ATOM 997 N TRP A 61 1.648 8.459 4.114 1.00 0.00 N ATOM 998 CA TRP A 61 0.307 7.881 4.331 1.00 0.00 C ATOM 999 C TRP A 61 -0.728 8.568 3.440 1.00 0.00 C ATOM 1000 O TRP A 61 -0.489 9.665 2.950 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.100 7.998 5.827 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.275 9.416 6.349 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.711 10.325 6.646 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.521 10.067 6.664 1.00 0.00 C ATOM 1005 NE1 TRP A 61 0.153 11.483 7.130 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.214 11.349 7.145 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -2.863 9.679 6.584 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.203 12.248 7.550 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -3.842 10.570 6.980 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.509 11.843 7.457 1.00 0.00 C ATOM 0 H TRP A 61 1.632 9.418 3.768 1.00 0.00 H new ATOM 0 HA TRP A 61 0.342 6.825 4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.035 7.457 5.975 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.657 7.498 6.432 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.770 10.154 6.518 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.670 12.309 7.430 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.129 8.698 6.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.947 13.229 7.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.881 10.280 6.921 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.296 12.519 7.757 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.896 7.934 3.269 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.957 8.445 2.384 1.00 0.00 C ATOM 1023 C PHE A 62 -4.334 8.024 2.892 1.00 0.00 C ATOM 1024 O PHE A 62 -4.485 6.970 3.499 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.739 7.955 0.917 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.605 6.434 0.719 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.390 5.787 0.946 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.685 5.661 0.291 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.262 4.427 0.755 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.551 4.299 0.098 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.340 3.682 0.329 1.00 0.00 C ATOM 0 H PHE A 62 -2.133 7.059 3.736 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.908 9.534 2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.574 8.307 0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.839 8.431 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.536 6.360 1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.639 6.134 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.314 3.944 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.397 3.716 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.237 2.618 0.177 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.338 8.857 2.598 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.740 8.612 2.975 1.00 0.00 C ATOM 1043 C ASN A 63 -7.442 7.916 1.810 1.00 0.00 C ATOM 1044 O ASN A 63 -7.501 8.470 0.703 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.458 9.938 3.316 1.00 0.00 C ATOM 1046 CG ASN A 63 -6.895 10.601 4.561 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -7.424 10.433 5.652 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -5.794 11.322 4.414 1.00 0.00 N ATOM 0 H ASN A 63 -5.202 9.729 2.087 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.772 7.980 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.370 10.623 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.521 9.745 3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.359 11.759 5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.381 11.440 3.489 1.00 0.00 H new ATOM 1055 N ILE A 64 -7.945 6.695 2.057 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.628 5.889 1.038 1.00 0.00 C ATOM 1057 C ILE A 64 -10.113 6.291 0.942 1.00 0.00 C ATOM 1058 O ILE A 64 -10.869 6.191 1.920 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.454 4.339 1.304 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.884 3.933 2.757 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -6.991 3.917 1.024 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.719 2.457 3.080 1.00 0.00 C ATOM 0 H ILE A 64 -7.888 6.241 2.969 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.161 6.093 0.075 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.118 3.809 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.299 4.514 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.929 4.208 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.879 2.849 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.742 4.133 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.320 4.472 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.041 2.271 4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.326 1.865 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.671 2.176 2.972 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.494 6.809 -0.242 1.00 0.00 N ATOM 1075 CA GLY A 65 -11.876 7.170 -0.539 1.00 0.00 C ATOM 1076 C GLY A 65 -12.801 5.964 -0.473 1.00 0.00 C ATOM 1077 O GLY A 65 -13.900 6.034 0.089 1.00 0.00 O ATOM 0 H GLY A 65 -9.847 6.985 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.214 7.927 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.930 7.616 -1.532 1.00 0.00 H new ATOM 1081 N SER A 66 -12.328 4.851 -1.047 1.00 0.00 N ATOM 1082 CA SER A 66 -12.982 3.545 -0.964 1.00 0.00 C ATOM 1083 C SER A 66 -11.934 2.493 -0.585 1.00 0.00 C ATOM 1084 O SER A 66 -10.873 2.406 -1.225 1.00 0.00 O ATOM 1085 CB SER A 66 -13.650 3.193 -2.310 1.00 0.00 C ATOM 1086 OG SER A 66 -14.221 1.892 -2.299 1.00 0.00 O ATOM 0 H SER A 66 -11.465 4.835 -1.591 1.00 0.00 H new ATOM 0 HA SER A 66 -13.762 3.569 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.425 3.927 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.911 3.257 -3.109 1.00 0.00 H new ATOM 0 HG SER A 66 -14.635 1.709 -3.168 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.224 1.731 0.482 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.407 0.570 0.899 1.00 0.00 C ATOM 1094 C VAL A 67 -11.393 -0.495 -0.217 1.00 0.00 C ATOM 1095 O VAL A 67 -10.367 -1.113 -0.465 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.926 -0.052 2.253 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.946 -1.112 2.825 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -12.210 1.055 3.292 1.00 0.00 C ATOM 0 H VAL A 67 -13.031 1.899 1.083 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.389 0.920 1.071 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.861 -0.568 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.346 -1.512 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.825 -1.922 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.978 -0.648 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.567 0.603 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.294 1.612 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.970 1.733 2.903 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.537 -0.643 -0.911 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.696 -1.558 -2.070 1.00 0.00 C ATOM 1110 C ASP A 68 -11.690 -1.222 -3.182 1.00 0.00 C ATOM 1111 O ASP A 68 -11.061 -2.119 -3.759 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.159 -1.457 -2.599 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.449 -2.341 -3.827 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.738 -3.546 -3.656 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.394 -1.836 -4.971 1.00 0.00 O ATOM 0 H ASP A 68 -13.388 -0.128 -0.685 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.495 -2.580 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.843 -1.733 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.370 -0.419 -2.855 1.00 0.00 H new ATOM 1120 N THR A 69 -11.546 0.085 -3.456 1.00 0.00 N ATOM 1121 CA THR A 69 -10.592 0.591 -4.448 1.00 0.00 C ATOM 1122 C THR A 69 -9.147 0.298 -4.006 1.00 0.00 C ATOM 1123 O THR A 69 -8.341 -0.193 -4.795 1.00 0.00 O ATOM 1124 CB THR A 69 -10.798 2.124 -4.684 1.00 0.00 C ATOM 1125 OG1 THR A 69 -12.160 2.379 -5.066 1.00 0.00 O ATOM 1126 CG2 THR A 69 -9.862 2.688 -5.768 1.00 0.00 C ATOM 0 H THR A 69 -12.088 0.816 -2.996 1.00 0.00 H new ATOM 0 HA THR A 69 -10.774 0.075 -5.391 1.00 0.00 H new ATOM 0 HB THR A 69 -10.560 2.624 -3.745 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.301 3.345 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.048 3.755 -5.890 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.825 2.532 -5.470 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.049 2.177 -6.712 1.00 0.00 H new ATOM 1134 N PHE A 70 -8.847 0.589 -2.726 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.534 0.316 -2.107 1.00 0.00 C ATOM 1136 C PHE A 70 -7.090 -1.146 -2.324 1.00 0.00 C ATOM 1137 O PHE A 70 -6.003 -1.394 -2.837 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.595 0.652 -0.582 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.411 0.131 0.241 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.138 0.659 0.065 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.576 -0.909 1.154 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -4.069 0.173 0.776 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.505 -1.399 1.865 1.00 0.00 C ATOM 1144 CZ PHE A 70 -4.249 -0.859 1.677 1.00 0.00 C ATOM 0 H PHE A 70 -9.513 1.023 -2.087 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.791 0.951 -2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.652 1.734 -0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.515 0.238 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.987 1.463 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.557 -1.335 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.087 0.598 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.647 -2.205 2.569 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.407 -1.243 2.234 1.00 0.00 H new ATOM 1154 N GLU A 71 -7.965 -2.085 -1.949 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.662 -3.524 -1.931 1.00 0.00 C ATOM 1156 C GLU A 71 -7.471 -4.084 -3.344 1.00 0.00 C ATOM 1157 O GLU A 71 -6.447 -4.704 -3.635 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.802 -4.294 -1.225 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.062 -3.882 0.226 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.231 -4.653 0.863 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -10.078 -5.876 1.112 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -11.301 -4.056 1.115 1.00 0.00 O ATOM 0 H GLU A 71 -8.914 -1.867 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.728 -3.655 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.720 -4.156 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.569 -5.359 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.159 -4.049 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.274 -2.813 0.263 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.465 -3.838 -4.216 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.500 -4.428 -5.568 1.00 0.00 C ATOM 1171 C ARG A 72 -7.397 -3.854 -6.469 1.00 0.00 C ATOM 1172 O ARG A 72 -6.820 -4.589 -7.275 1.00 0.00 O ATOM 1173 CB ARG A 72 -9.900 -4.268 -6.213 1.00 0.00 C ATOM 1174 CG ARG A 72 -10.996 -5.111 -5.518 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.362 -5.095 -6.237 1.00 0.00 C ATOM 1176 NE ARG A 72 -13.249 -6.180 -5.743 1.00 0.00 N ATOM 1177 CZ ARG A 72 -14.597 -6.188 -5.784 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -15.276 -5.150 -6.282 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -15.252 -7.258 -5.323 1.00 0.00 N ATOM 0 H ARG A 72 -9.259 -3.232 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.304 -5.495 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.187 -3.217 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.843 -4.554 -7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.651 -6.142 -5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.130 -4.744 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.845 -4.130 -6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.211 -5.207 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.795 -6.997 -5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.775 -4.336 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.295 -5.172 -6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.732 -8.052 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.271 -7.281 -5.346 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.082 -2.553 -6.322 1.00 0.00 N ATOM 1194 CA ASN A 73 -5.953 -1.943 -7.055 1.00 0.00 C ATOM 1195 C ASN A 73 -4.620 -2.459 -6.496 1.00 0.00 C ATOM 1196 O ASN A 73 -3.707 -2.723 -7.264 1.00 0.00 O ATOM 1197 CB ASN A 73 -5.994 -0.382 -7.037 1.00 0.00 C ATOM 1198 CG ASN A 73 -6.977 0.216 -8.052 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -6.632 0.416 -9.217 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.179 0.552 -7.614 1.00 0.00 N ATOM 0 H ASN A 73 -7.585 -1.910 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.047 -2.243 -8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.267 -0.045 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.995 0.002 -7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.849 0.989 -8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.436 0.374 -6.643 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.522 -2.609 -5.162 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.316 -3.159 -4.497 1.00 0.00 C ATOM 1209 C LEU A 74 -2.964 -4.555 -5.041 1.00 0.00 C ATOM 1210 O LEU A 74 -1.802 -4.826 -5.347 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.520 -3.218 -2.958 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.291 -3.657 -2.118 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.119 -2.662 -2.255 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.674 -3.862 -0.642 1.00 0.00 C ATOM 0 H LEU A 74 -5.268 -2.356 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.483 -2.491 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.833 -2.231 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.341 -3.904 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.952 -4.614 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.278 -3.005 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.815 -2.600 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.435 -1.678 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.794 -4.169 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.060 -2.928 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.440 -4.634 -0.569 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.991 -5.408 -5.175 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.838 -6.770 -5.723 1.00 0.00 C ATOM 1228 C GLU A 75 -3.350 -6.731 -7.180 1.00 0.00 C ATOM 1229 O GLU A 75 -2.474 -7.514 -7.564 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.179 -7.550 -5.645 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.692 -7.823 -4.220 1.00 0.00 C ATOM 1232 CD GLU A 75 -4.799 -8.780 -3.408 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -3.840 -8.309 -2.752 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -5.052 -10.007 -3.425 1.00 0.00 O ATOM 0 H GLU A 75 -4.948 -5.177 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.091 -7.283 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.940 -6.989 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.058 -8.503 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.773 -6.876 -3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.696 -8.242 -4.280 1.00 0.00 H new ATOM 1241 N THR A 76 -3.925 -5.799 -7.972 1.00 0.00 N ATOM 1242 CA THR A 76 -3.568 -5.624 -9.381 1.00 0.00 C ATOM 1243 C THR A 76 -2.080 -5.268 -9.516 1.00 0.00 C ATOM 1244 O THR A 76 -1.325 -5.981 -10.187 1.00 0.00 O ATOM 1245 CB THR A 76 -4.455 -4.536 -10.072 1.00 0.00 C ATOM 1246 OG1 THR A 76 -5.838 -4.900 -9.955 1.00 0.00 O ATOM 1247 CG2 THR A 76 -4.102 -4.336 -11.557 1.00 0.00 C ATOM 0 H THR A 76 -4.645 -5.154 -7.646 1.00 0.00 H new ATOM 0 HA THR A 76 -3.753 -6.571 -9.888 1.00 0.00 H new ATOM 0 HB THR A 76 -4.262 -3.592 -9.563 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.130 -4.781 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.749 -3.570 -11.985 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.062 -4.023 -11.645 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.245 -5.273 -12.094 1.00 0.00 H new ATOM 1255 N LEU A 77 -1.690 -4.183 -8.836 1.00 0.00 N ATOM 1256 CA LEU A 77 -0.300 -3.719 -8.777 1.00 0.00 C ATOM 1257 C LEU A 77 0.665 -4.839 -8.361 1.00 0.00 C ATOM 1258 O LEU A 77 1.620 -5.120 -9.077 1.00 0.00 O ATOM 1259 CB LEU A 77 -0.153 -2.504 -7.814 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.346 -1.092 -8.450 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.516 -0.922 -9.729 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -1.833 -0.744 -8.718 1.00 0.00 C ATOM 0 H LEU A 77 -2.337 -3.598 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.033 -3.404 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.876 -2.618 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.838 -2.543 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 77 0.006 -0.374 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.357 0.073 -10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.569 -1.046 -9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.228 -1.674 -10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.900 0.250 -9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.260 -1.476 -9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.386 -0.761 -7.779 1.00 0.00 H new ATOM 1274 N GLN A 78 0.356 -5.506 -7.240 1.00 0.00 N ATOM 1275 CA GLN A 78 1.229 -6.533 -6.650 1.00 0.00 C ATOM 1276 C GLN A 78 1.465 -7.706 -7.633 1.00 0.00 C ATOM 1277 O GLN A 78 2.591 -8.185 -7.770 1.00 0.00 O ATOM 1278 CB GLN A 78 0.637 -7.074 -5.314 1.00 0.00 C ATOM 1279 CG GLN A 78 0.871 -6.193 -4.066 1.00 0.00 C ATOM 1280 CD GLN A 78 0.313 -6.840 -2.789 1.00 0.00 C ATOM 1281 OE1 GLN A 78 0.162 -8.052 -2.712 1.00 0.00 O ATOM 1282 NE2 GLN A 78 0.040 -6.055 -1.770 1.00 0.00 N ATOM 0 H GLN A 78 -0.505 -5.350 -6.716 1.00 0.00 H new ATOM 0 HA GLN A 78 2.188 -6.058 -6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.437 -7.209 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.062 -8.060 -5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.939 -6.014 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.400 -5.221 -4.215 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.172 -5.047 -1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.304 -6.454 -0.897 1.00 0.00 H new ATOM 1291 N GLN A 79 0.381 -8.150 -8.304 1.00 0.00 N ATOM 1292 CA GLN A 79 0.414 -9.243 -9.279 1.00 0.00 C ATOM 1293 C GLN A 79 1.306 -8.887 -10.481 1.00 0.00 C ATOM 1294 O GLN A 79 2.140 -9.700 -10.912 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.026 -9.543 -9.764 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.141 -10.837 -10.572 1.00 0.00 C ATOM 1297 CD GLN A 79 -2.506 -11.035 -11.240 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.437 -11.579 -10.640 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -2.635 -10.602 -12.489 1.00 0.00 N ATOM 0 H GLN A 79 -0.549 -7.750 -8.177 1.00 0.00 H new ATOM 0 HA GLN A 79 0.833 -10.126 -8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.687 -9.604 -8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.376 -8.711 -10.374 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.368 -10.844 -11.340 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.944 -11.683 -9.914 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.847 -10.156 -12.958 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.522 -10.715 -12.979 1.00 0.00 H new ATOM 1308 N GLU A 80 1.146 -7.653 -10.989 1.00 0.00 N ATOM 1309 CA GLU A 80 1.865 -7.182 -12.193 1.00 0.00 C ATOM 1310 C GLU A 80 3.357 -6.989 -11.905 1.00 0.00 C ATOM 1311 O GLU A 80 4.203 -7.315 -12.737 1.00 0.00 O ATOM 1312 CB GLU A 80 1.233 -5.870 -12.746 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.239 -6.002 -13.196 1.00 0.00 C ATOM 1314 CD GLU A 80 -0.503 -7.254 -14.052 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.200 -7.236 -15.264 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.009 -8.268 -13.512 1.00 0.00 O ATOM 0 H GLU A 80 0.521 -6.957 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 80 1.768 -7.951 -12.959 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.296 -5.100 -11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.828 -5.525 -13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.880 -6.031 -12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.519 -5.115 -13.765 1.00 0.00 H new ATOM 1323 N LEU A 81 3.658 -6.485 -10.707 1.00 0.00 N ATOM 1324 CA LEU A 81 5.033 -6.275 -10.234 1.00 0.00 C ATOM 1325 C LEU A 81 5.660 -7.614 -9.778 1.00 0.00 C ATOM 1326 O LEU A 81 6.881 -7.729 -9.675 1.00 0.00 O ATOM 1327 CB LEU A 81 5.021 -5.241 -9.073 1.00 0.00 C ATOM 1328 CG LEU A 81 4.430 -3.827 -9.415 1.00 0.00 C ATOM 1329 CD1 LEU A 81 4.137 -3.006 -8.137 1.00 0.00 C ATOM 1330 CD2 LEU A 81 5.348 -3.053 -10.387 1.00 0.00 C ATOM 0 H LEU A 81 2.949 -6.207 -10.029 1.00 0.00 H new ATOM 0 HA LEU A 81 5.643 -5.886 -11.049 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.450 -5.661 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.044 -5.109 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 81 3.478 -3.987 -9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.729 -2.034 -8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.415 -3.540 -7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.060 -2.865 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.910 -2.079 -10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.329 -2.917 -9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.454 -3.617 -11.314 1.00 0.00 H new ATOM 1342 N GLY A 82 4.802 -8.632 -9.536 1.00 0.00 N ATOM 1343 CA GLY A 82 5.244 -9.947 -9.055 1.00 0.00 C ATOM 1344 C GLY A 82 5.479 -10.006 -7.548 1.00 0.00 C ATOM 1345 O GLY A 82 5.964 -11.020 -7.041 1.00 0.00 O ATOM 0 H GLY A 82 3.793 -8.559 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.496 -10.692 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.166 -10.220 -9.568 1.00 0.00 H new ATOM 1349 N ILE A 83 5.130 -8.916 -6.834 1.00 0.00 N ATOM 1350 CA ILE A 83 5.325 -8.784 -5.379 1.00 0.00 C ATOM 1351 C ILE A 83 4.340 -9.710 -4.643 1.00 0.00 C ATOM 1352 O ILE A 83 3.185 -9.343 -4.390 1.00 0.00 O ATOM 1353 CB ILE A 83 5.150 -7.274 -4.949 1.00 0.00 C ATOM 1354 CG1 ILE A 83 6.253 -6.416 -5.635 1.00 0.00 C ATOM 1355 CG2 ILE A 83 5.165 -7.084 -3.411 1.00 0.00 C ATOM 1356 CD1 ILE A 83 6.188 -4.935 -5.361 1.00 0.00 C ATOM 0 H ILE A 83 4.700 -8.094 -7.258 1.00 0.00 H new ATOM 0 HA ILE A 83 6.336 -9.087 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 83 4.167 -6.940 -5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.227 -6.785 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.192 -6.571 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.041 -6.027 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.349 -7.654 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.115 -7.437 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.000 -4.432 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.233 -4.542 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.284 -4.759 -4.290 1.00 0.00 H new ATOM 1368 N GLU A 84 4.810 -10.937 -4.353 1.00 0.00 N ATOM 1369 CA GLU A 84 3.979 -12.042 -3.859 1.00 0.00 C ATOM 1370 C GLU A 84 4.686 -12.777 -2.708 1.00 0.00 C ATOM 1371 O GLU A 84 5.927 -12.754 -2.596 1.00 0.00 O ATOM 1372 CB GLU A 84 3.680 -13.034 -5.028 1.00 0.00 C ATOM 1373 CG GLU A 84 2.806 -12.447 -6.163 1.00 0.00 C ATOM 1374 CD GLU A 84 2.613 -13.394 -7.365 1.00 0.00 C ATOM 1375 OE1 GLU A 84 1.684 -14.236 -7.328 1.00 0.00 O ATOM 1376 OE2 GLU A 84 3.400 -13.311 -8.338 1.00 0.00 O ATOM 0 H GLU A 84 5.793 -11.189 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 84 3.041 -11.637 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.626 -13.370 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.182 -13.914 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.828 -12.189 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.260 -11.520 -6.514 1.00 0.00 H new ATOM 1383 N GLY A 85 3.859 -13.378 -1.837 1.00 0.00 N ATOM 1384 CA GLY A 85 4.301 -14.268 -0.769 1.00 0.00 C ATOM 1385 C GLY A 85 5.231 -13.641 0.261 1.00 0.00 C ATOM 1386 O GLY A 85 4.769 -13.033 1.228 1.00 0.00 O ATOM 0 H GLY A 85 2.847 -13.252 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.422 -14.653 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.807 -15.123 -1.218 1.00 0.00 H new ATOM 1390 N GLU A 86 6.545 -13.789 0.043 1.00 0.00 N ATOM 1391 CA GLU A 86 7.579 -13.318 0.978 1.00 0.00 C ATOM 1392 C GLU A 86 7.746 -11.805 0.835 1.00 0.00 C ATOM 1393 O GLU A 86 7.777 -11.059 1.825 1.00 0.00 O ATOM 1394 CB GLU A 86 8.946 -14.016 0.711 1.00 0.00 C ATOM 1395 CG GLU A 86 8.958 -15.569 0.757 1.00 0.00 C ATOM 1396 CD GLU A 86 8.155 -16.270 -0.366 1.00 0.00 C ATOM 1397 OE1 GLU A 86 8.245 -15.837 -1.546 1.00 0.00 O ATOM 1398 OE2 GLU A 86 7.443 -17.257 -0.082 1.00 0.00 O ATOM 0 H GLU A 86 6.923 -14.240 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 86 7.260 -13.567 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.302 -13.702 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.664 -13.648 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.992 -15.910 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.561 -15.891 1.720 1.00 0.00 H new ATOM 1405 N ASN A 87 7.816 -11.362 -0.430 1.00 0.00 N ATOM 1406 CA ASN A 87 8.055 -9.945 -0.782 1.00 0.00 C ATOM 1407 C ASN A 87 6.757 -9.126 -0.660 1.00 0.00 C ATOM 1408 O ASN A 87 6.797 -7.887 -0.602 1.00 0.00 O ATOM 1409 CB ASN A 87 8.624 -9.849 -2.226 1.00 0.00 C ATOM 1410 CG ASN A 87 8.958 -8.417 -2.677 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.422 -7.591 -1.898 1.00 0.00 O ATOM 1412 ND2 ASN A 87 8.687 -8.114 -3.929 1.00 0.00 N ATOM 0 H ASN A 87 7.709 -11.972 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 87 8.783 -9.530 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.526 -10.458 -2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.900 -10.277 -2.919 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.862 -7.171 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.302 -8.823 -4.553 1.00 0.00 H new ATOM 1419 N ARG A 88 5.618 -9.838 -0.595 1.00 0.00 N ATOM 1420 CA ARG A 88 4.276 -9.245 -0.592 1.00 0.00 C ATOM 1421 C ARG A 88 4.096 -8.232 0.553 1.00 0.00 C ATOM 1422 O ARG A 88 4.759 -8.329 1.588 1.00 0.00 O ATOM 1423 CB ARG A 88 3.216 -10.365 -0.497 1.00 0.00 C ATOM 1424 CG ARG A 88 1.810 -9.942 -0.921 1.00 0.00 C ATOM 1425 CD ARG A 88 0.825 -11.111 -1.018 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.514 -10.620 -1.372 1.00 0.00 N ATOM 1427 CZ ARG A 88 -1.658 -11.313 -1.243 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -1.657 -12.563 -0.790 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -2.811 -10.728 -1.554 1.00 0.00 N ATOM 0 H ARG A 88 5.608 -10.857 -0.542 1.00 0.00 H new ATOM 0 HA ARG A 88 4.146 -8.698 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.533 -11.202 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.179 -10.727 0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.427 -9.213 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.865 -9.442 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.169 -11.824 -1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.786 -11.642 -0.067 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.581 -9.674 -1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.778 -13.012 -0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.536 -13.073 -0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.820 -9.764 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.686 -11.244 -1.460 1.00 0.00 H new ATOM 1443 N VAL A 89 3.209 -7.254 0.338 1.00 0.00 N ATOM 1444 CA VAL A 89 2.893 -6.220 1.324 1.00 0.00 C ATOM 1445 C VAL A 89 1.566 -6.609 2.026 1.00 0.00 C ATOM 1446 O VAL A 89 0.493 -6.437 1.429 1.00 0.00 O ATOM 1447 CB VAL A 89 2.780 -4.812 0.626 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.436 -3.710 1.638 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.082 -4.474 -0.143 1.00 0.00 C ATOM 0 H VAL A 89 2.687 -7.159 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 89 3.688 -6.149 2.066 1.00 0.00 H new ATOM 0 HB VAL A 89 1.963 -4.862 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.366 -2.752 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.482 -3.937 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.216 -3.657 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.982 -3.498 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.921 -4.455 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.261 -5.231 -0.906 1.00 0.00 H new ATOM 1459 N PRO A 90 1.618 -7.209 3.271 1.00 0.00 N ATOM 1460 CA PRO A 90 0.408 -7.589 4.031 1.00 0.00 C ATOM 1461 C PRO A 90 -0.353 -6.368 4.560 1.00 0.00 C ATOM 1462 O PRO A 90 0.227 -5.326 4.871 1.00 0.00 O ATOM 1463 CB PRO A 90 0.956 -8.473 5.175 1.00 0.00 C ATOM 1464 CG PRO A 90 2.359 -8.012 5.371 1.00 0.00 C ATOM 1465 CD PRO A 90 2.853 -7.611 4.000 1.00 0.00 C ATOM 0 HA PRO A 90 -0.324 -8.110 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.369 -8.352 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.920 -9.530 4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.402 -7.172 6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.976 -8.805 5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.567 -6.789 4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.359 -8.438 3.501 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.669 -6.530 4.659 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.591 -5.454 5.020 1.00 0.00 C ATOM 1475 C VAL A 91 -3.127 -5.696 6.432 1.00 0.00 C ATOM 1476 O VAL A 91 -3.759 -6.725 6.689 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.763 -5.373 3.985 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.684 -4.183 4.280 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.217 -5.312 2.538 1.00 0.00 C ATOM 0 H VAL A 91 -2.132 -7.423 4.489 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.061 -4.502 5.003 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.358 -6.281 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.488 -4.154 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.109 -4.291 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.111 -3.257 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.050 -5.256 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.587 -4.430 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.629 -6.207 2.333 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.861 -4.754 7.339 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.254 -4.851 8.743 1.00 0.00 C ATOM 1491 C VAL A 92 -4.452 -3.915 8.969 1.00 0.00 C ATOM 1492 O VAL A 92 -4.265 -2.709 9.147 1.00 0.00 O ATOM 1493 CB VAL A 92 -2.050 -4.454 9.695 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.387 -4.712 11.179 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.739 -5.171 9.285 1.00 0.00 C ATOM 0 H VAL A 92 -2.361 -3.894 7.115 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.530 -5.878 8.980 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.890 -3.382 9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.537 -4.428 11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.258 -4.121 11.463 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.604 -5.770 11.324 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.064 -4.875 9.960 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.881 -6.250 9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.476 -4.893 8.264 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.680 -4.461 8.916 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.896 -3.691 9.219 1.00 0.00 C ATOM 1507 C TYR A 93 -6.989 -3.485 10.724 1.00 0.00 C ATOM 1508 O TYR A 93 -7.387 -4.384 11.464 1.00 0.00 O ATOM 1509 CB TYR A 93 -8.170 -4.385 8.687 1.00 0.00 C ATOM 1510 CG TYR A 93 -8.206 -4.488 7.169 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.471 -3.365 6.386 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.941 -5.692 6.518 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.459 -3.439 5.017 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.940 -5.771 5.153 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.195 -4.644 4.412 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.159 -4.717 3.060 1.00 0.00 O ATOM 0 H TYR A 93 -5.855 -5.434 8.666 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.828 -2.727 8.714 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.237 -5.385 9.114 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.046 -3.834 9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.689 -2.422 6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.733 -6.577 7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.655 -2.560 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.740 -6.712 4.662 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.585 -5.549 2.766 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.561 -2.310 11.158 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.540 -1.925 12.558 1.00 0.00 C ATOM 1528 C ILE A 94 -7.906 -1.327 12.909 1.00 0.00 C ATOM 1529 O ILE A 94 -8.392 -0.455 12.195 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.381 -0.891 12.790 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -4.026 -1.500 12.314 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.297 -0.441 14.260 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.846 -0.568 12.400 1.00 0.00 C ATOM 0 H ILE A 94 -6.212 -1.583 10.533 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.356 -2.785 13.202 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.599 -0.001 12.200 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.814 -2.387 12.911 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.136 -1.829 11.281 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.482 0.274 14.376 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.236 0.029 14.551 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.113 -1.307 14.896 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.951 -1.081 12.048 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.029 0.309 11.780 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.703 -0.257 13.435 1.00 0.00 H new